3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol

C12H14F3NO2S — CID 107484908

IUPAC3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)9-16(5-7-18)8-11-4-3-10(19-11)2-1-6-17/h3-4,17-18H,5-9H2
InChIKeyAYAWZKCTSNQYCV-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.45
Rot. Bonds5

About 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol

3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol (PubChem CID 107484908) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
PubChem CID107484908
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)9-16(5-7-18)8-11-4-3-10(19-11)2-1-6-17/h3-4,17-18H,5-9H2
InChIKeyAYAWZKCTSNQYCV-UHFFFAOYSA-N
XLogP1.45
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol with MolForge

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856868
3-[5-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]prop-2-yn-1-ol
CID 82956913
2-[[4-(3-aminoprop-1-ynyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484871
2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486372
3-[5-[[cyclopropyl(cyclopropylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 64521626
2-[(3,4-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113341314
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864838
4-[5-[[2-hydroxyethyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]thiophen-2-yl]-2-methylbut-3-yn-2-ol
CID 46998131
3-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methylsulfanyl]propan-1-ol
CID 66128100
3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 105416381
3-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63712300

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol (CID 107484908) is 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol is OCC#Cc1ccc(CN(CCO)CC(F)(F)F)s1.
What is the InChIKey of 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The InChIKey is AYAWZKCTSNQYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)9-16(5-7-18)8-11-4-3-10(19-11)2-1-6-17/h3-4,17-18H,5-9H2.
What are the key properties of 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol has a molecular weight of 293.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 107484908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).